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V5B
V5B
表記:methyl sulfate
組成式:C H4 O4 S
SMILES:CO[S](O)(=O)=O
InChi:InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)
定義日:2021-04-15
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:methyl hydrogen sulfate
0OI
0OI
表記:N-(2-fluorophenyl)-N'-methylurea
組成式:C8 H9 F N2 O
SMILES:O=C(Nc1ccccc1F)NC
InChi:InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
定義日:2021-06-14
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:N-(2-fluorophenyl)-N'-methylurea
YGY
YGY
表記:Cryptophycin 52
組成式:C36 H45 Cl N2 O8
SMILES:COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1
InChi:InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10-/t22-,26-,27-,29-,31+,32+/m0/s1
別名:(3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
定義日:2021-03-04
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
VNS
VNS
表記:(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
組成式:C31 H29 F N4 O3 S
SMILES:O=C(Nc1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4ccc(cc4)C5CCN(C)CC5)C6)=O
InChi:InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)/t28-/m1/s1
定義日:2020-08-31
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
UFQ
UFQ
表記:Cytosine 5'-[gamma-thio]triphosphate
組成式:C9 H16 N3 O13 P3 S
SMILES:NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]2O
InChi:InChI=1S/C9H16N3O13P3S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H2,10,11,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1
別名:[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
定義日:2021-02-13
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
VO7
VO7
表記:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
組成式:C27 H31 N7 O2
SMILES:c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C
InChi:InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
別名:AZ5104
定義日:2020-08-31
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide
VOY
VOY
表記:(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
組成式:C31 H30 N8 O3
SMILES:CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N
InChi:InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+
定義日:2020-08-31
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
UUK
UUK
表記:tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
組成式:C29 H41 N3 O4
SMILES:CC(C)C[CH](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C29H41N3O4/c1-22(2)19-25(31-28(35)36-29(3,4)5)27(34)30-18-12-17-26(33)32(20-23-13-8-6-9-14-23)21-24-15-10-7-11-16-24/h6-11,13-16,22,25H,12,17-21H2,1-5H3,(H,30,34)(H,31,35)/t25-/m0/s1
別名:~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
定義日:2021-03-19
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
UUW
UUW
表記:N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide
組成式:C31 H46 N4 O3
SMILES:CC(C)C[CH](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C31H46N4O3/c1-25(2)22-28(33-29(36)18-11-12-21-34(3)4)31(38)32-20-13-19-30(37)35(23-26-14-7-5-8-15-26)24-27-16-9-6-10-17-27/h5-10,14-17,25,28H,11-13,18-24H2,1-4H3,(H,32,38)(H,33,36)/t28-/m0/s1
別名:(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide
定義日:2021-03-21
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide
77I
77I
表記:(1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
組成式:C35 H39 F3 N2 O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1
InChi:InChI=1S/C35H39F3N2O6S/c1-44-28-16-10-26(11-17-28)40(23-35(36,37)38)47(42,43)31-22-30-32(24-6-12-27(41)13-7-24)33(34(31)46-30)25-8-14-29(15-9-25)45-21-5-20-39-18-3-2-4-19-39/h6-17,30-31,34,41H,2-5,18-23H2,1H3/t30-,31+,34+/m0/s1
定義日:2021-08-11
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1S,2R,4S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
JWX
JWX
表記:(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine
組成式:C22 H22 N2
SMILES:CC(c1cccc2ccccc21)N(C)Cc1c[NH]c2ccccc21
InChi:InChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1
定義日:2021-08-30
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine
L84
L84
表記:(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
組成式:C34 H37 F3 N2 O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1
InChi:InChI=1S/C34H37F3N2O6S/c35-34(36,37)22-39(25-9-15-28(16-10-25)44-20-4-19-38-17-2-1-3-18-38)46(42,43)30-21-29-31(23-5-11-26(40)12-6-23)32(33(30)45-29)24-7-13-27(41)14-8-24/h5-16,29-30,33,40-41H,1-4,17-22H2/t29-,30+,33+/m0/s1
定義日:2019-02-11
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
81H
81H
表記:(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
組成式:C22 H14 F7 N5 O2
SMILES:OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)c1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m0/s1
定義日:2021-08-30
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
7I0
7I0
表記:(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
組成式:C26 H20 Cl F N2 O2
SMILES:O=C(O)/C=C/c1ccc(cc1)C(/c1cc2c[NH]nc2cc1)=C(/CC)c1ccc(F)cc1Cl
InChi:InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
定義日:2021-08-11
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
7I5
7I5
表記:(2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
組成式:C29 H24 F3 N O7 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(/C=C/C(=O)O)cc1
InChi:InChI=1S/C29H24F3NO7S/c30-29(31,32)16-33(20-8-1-17(2-9-20)3-14-25(36)37)41(38,39)24-15-23-26(18-4-10-21(34)11-5-18)27(28(24)40-23)19-6-12-22(35)13-7-19/h1-14,23-24,28,34-35H,15-16H2,(H,36,37)/b14-3+/t23-,24+,28+/m0/s1
定義日:2021-08-11
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(2E)-3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
7I9
7I9
表記:(1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
組成式:C36 H41 F3 N2 O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCCN2CCCCC2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1
InChi:InChI=1S/C36H41F3N2O6S/c1-45-29-17-11-27(12-18-29)41(24-36(37,38)39)48(43,44)32-23-31-33(25-7-13-28(42)14-8-25)34(35(32)47-31)26-9-15-30(16-10-26)46-22-6-5-21-40-19-3-2-4-20-40/h7-18,31-32,35,42H,2-6,19-24H2,1H3/t31-,32+,35+/m1/s1
定義日:2021-08-11
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[4-(piperidin-1-yl)butoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
7OI
7OI
表記:(1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
組成式:C33 H28 F3 N O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCc2ccccc2)cc1
InChi:InChI=1S/C33H28F3NO6S/c34-33(35,36)20-37(24-10-16-27(17-11-24)42-19-21-4-2-1-3-5-21)44(40,41)29-18-28-30(22-6-12-25(38)13-7-22)31(32(29)43-28)23-8-14-26(39)15-9-23/h1-17,28-29,32,38-39H,18-20H2/t28-,29+,32+/m0/s1
定義日:2021-08-14
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
7OR
7OR
表記:(1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
組成式:C34 H30 F3 N O6 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1
InChi:InChI=1S/C34H30F3NO6S/c1-42-27-17-11-25(12-18-27)38(21-34(35,36)37)45(40,41)30-19-29-31(23-7-13-26(39)14-8-23)32(33(30)44-29)24-9-15-28(16-10-24)43-20-22-5-3-2-4-6-22/h2-18,29-30,33,39H,19-21H2,1H3/t29-,30+,33+/m0/s1
定義日:2021-08-16
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
7Q5
7Q5
表記:methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
組成式:C30 H26 F3 N O7 S
SMILES:O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(C=C/C(=O)OC)cc1
InChi:InChI=1S/C30H26F3NO7S/c1-40-26(37)15-4-18-2-9-21(10-3-18)34(17-30(31,32)33)42(38,39)25-16-24-27(19-5-11-22(35)12-6-19)28(29(25)41-24)20-7-13-23(36)14-8-20/h2-15,24-25,29,35-36H,16-17H2,1H3/t24-,25+,29+/m0/s1
定義日:2021-08-17
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
0UW
0UW
表記:5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C8 H7 N3 O
SMILES:O=C1NC(=NN1)c1ccccc1
InChi:InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
定義日:2021-06-16
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4YI
4YI
表記:2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
組成式:C19 H15 Cl N4 O2
SMILES:COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3
InChi:InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+
定義日:2021-07-07
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
5ZF
5ZF
表記:N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
組成式:C29 H26 Cl N3 O2
SMILES:CC(NC(=O)C(N(C(=O)CCl)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:InChI=1S/C29H26ClN3O2/c1-21(22-9-4-2-5-10-22)32-29(35)28(25-13-8-18-31-20-25)33(27(34)19-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-18,20-21,28H,19H2,1H3,(H,32,35)/t21-,28+/m0/s1
定義日:2021-07-29
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
60I
60I
表記:[4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
組成式:C24 H34 N6 O
SMILES:O=C(c1c(C)n(C)nc1C)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1
InChi:InChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3
定義日:2021-07-30
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:(4-{[1-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
0BQ
0BQ
表記:5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C9 H7 N5 O
SMILES:O=C1NC(=NN1)c1[NH]c2ccccc2n1
InChi:InChI=1S/C9H7N5O/c15-9-12-8(13-14-9)7-10-5-3-1-2-4-6(5)11-7/h1-4H,(H,10,11)(H2,12,13,14,15)
定義日:2021-06-07
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
0CI
0CI
表記:5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C18 H19 N5 O3
SMILES:CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1
InChi:InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
定義日:2021-06-07
最終更新日:2021-09-03
公開日:2021-09-08
識別子（ID）:5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

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件を2024-09-11に公開中

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